
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms   83 (  623),  selected   83 , name one
# Molecule2: number of CA atoms   83 (  623),  selected   83 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:E  -ch2:E  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    83       1_E - 83_E        0.81     0.81
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    83       1_E - 83_E        0.81     0.81
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    83       1_E - 83_E        0.81     0.81
  LCS_AVERAGE:    100.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   83
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     M     1_E     M     1_E     83   83   83      3    3    3    4   12   22   75   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     S     2_E     S     2_E     83   83   83     14   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     G     3_E     G     3_E     83   83   83     47   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     D     4_E     D     4_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     N     5_E     N     5_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     F     6_E     F     6_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L     7_E     L     7_E     83   83   83     35   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K     8_E     K     8_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A     9_E     A     9_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     F    10_E     F    10_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    11_E     A    11_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    12_E     A    12_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    13_E     L    13_E     83   83   83     51   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    14_E     E    14_E     83   83   83     49   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    15_E     A    15_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    16_E     L    16_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    17_E     A    17_E     83   83   83     51   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    18_E     A    18_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    19_E     L    19_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     P    20_E     P    20_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    21_E     A    21_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     S    22_E     S    22_E     83   83   83     44   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    23_E     A    23_E     83   83   83     44   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    24_E     K    24_E     83   83   83     44   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    25_E     E    25_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    26_E     L    26_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     Q    27_E     Q    27_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    28_E     L    28_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    29_E     E    29_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    30_E     L    30_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     I    31_E     I    31_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    32_E     K    32_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     Q    33_E     Q    33_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     F    34_E     F    34_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     M    35_E     M    35_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    36_E     A    36_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    37_E     E    37_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    38_E     A    38_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     M    39_E     M    39_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    40_E     K    40_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     I    41_E     I    41_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    42_E     G    42_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     N    43_E     N    43_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    44_E     K    44_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    45_E     E    45_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     G    46_E     G    46_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    47_E     L    47_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    48_E     L    48_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    49_E     L    49_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    50_E     L    50_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    51_E     A    51_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    52_E     E    52_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     R    53_E     R    53_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    54_E     L    54_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    55_E     E    55_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    56_E     A    56_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    57_E     L    57_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    58_E     K    58_E     83   83   83     33   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     P    59_E     P    59_E     83   83   83     33   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    60_E     K    60_E     83   83   83     31   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     V    61_E     V    61_E     83   83   83     31   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     S    62_E     S    62_E     83   83   83     31   75   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     P    63_E     P    63_E     83   83   83     28   75   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    64_E     E    64_E     83   83   83      4    6   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     I    65_E     I    65_E     83   83   83     13   30   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    66_E     A    66_E     83   83   83     13   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     V    67_E     V    67_E     83   83   83     13   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    68_E     L    68_E     83   83   83     13   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     V    69_E     V    69_E     83   83   83     23   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    70_E     E    70_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    71_E     K    71_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    72_E     A    72_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    73_E     A    73_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     E    74_E     E    74_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     M    75_E     M    75_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    76_E     L    76_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    77_E     K    77_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    78_E     L    78_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    79_E     L    79_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    80_E     A    80_E     83   83   83     19   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     K    81_E     K    81_E     83   83   83     56   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     A    82_E     A    82_E     83   83   83     53   77   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_GDT     L    83_E     L    83_E     83   83   83     14   73   82   82   82   82   82   83   83   83   83   83   83   83   83   83   83   83   83   83 
LCS_AVERAGE  LCS_A: 100.00  ( 100.00  100.00  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     56     77     82     82     82     82     82     83     83     83     83     83     83     83     83     83     83     83     83     83 
GDT PERCENT_AT  67.47  92.77  98.80  98.80  98.80  98.80  98.80 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.49   0.58   0.58   0.58   0.58   0.58   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81
GDT RMS_ALL_AT   0.84   0.82   0.82   0.82   0.82   0.82   0.82   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81

# Checking swapping
#   possible swapping detected:  D     4_E      D     4_E
#   possible swapping detected:  F     6_E      F     6_E
#   possible swapping detected:  F    10_E      F    10_E
#   possible swapping detected:  E    25_E      E    25_E
#   possible swapping detected:  E    29_E      E    29_E
#   possible swapping detected:  F    34_E      F    34_E
#   possible swapping detected:  E    37_E      E    37_E
#   possible swapping detected:  E    74_E      E    74_E

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_E      M     1_E     5.043     0    0.412   0.601    11.876   38.690   21.845
LGA    S     2_E      S     2_E     1.096     0    0.517   0.780     4.148   81.548   68.889
LGA    G     3_E      G     3_E     0.620     0    0.075   0.075     0.676   95.238   95.238
LGA    D     4_E      D     4_E     0.446     0    0.018   0.972     3.966  100.000   83.155
LGA    N     5_E      N     5_E     0.251     0    0.021   1.024     2.530  100.000   91.250
LGA    F     6_E      F     6_E     0.448     0    0.094   0.119     0.673   95.238   98.268
LGA    L     7_E      L     7_E     0.769     0    0.045   0.187     1.402   92.857   88.274
LGA    K     8_E      K     8_E     0.436     0    0.037   0.157     0.536   97.619   97.884
LGA    A     9_E      A     9_E     0.436     0    0.044   0.059     0.458  100.000  100.000
LGA    F    10_E      F    10_E     0.498     0    0.061   0.127     1.060   95.238   91.385
LGA    A    11_E      A    11_E     0.339     0    0.064   0.075     0.380  100.000  100.000
LGA    A    12_E      A    12_E     0.414     0    0.019   0.020     0.623   95.238   94.286
LGA    L    13_E      L    13_E     0.708     0    0.060   0.109     0.874   90.476   90.476
LGA    E    14_E      E    14_E     0.755     0    0.016   0.227     0.925   90.476   90.476
LGA    A    15_E      A    15_E     0.612     0    0.058   0.069     0.690   92.857   92.381
LGA    L    16_E      L    16_E     0.667     0    0.041   0.061     0.738   90.476   90.476
LGA    A    17_E      A    17_E     0.745     0    0.022   0.023     0.888   92.857   92.381
LGA    A    18_E      A    18_E     0.511     0    0.065   0.081     0.785   95.238   94.286
LGA    L    19_E      L    19_E     0.249     0    0.051   0.132     0.577  100.000   98.810
LGA    P    20_E      P    20_E     0.243     0    0.046   0.069     0.715   97.619   98.639
LGA    A    21_E      A    21_E     0.686     0    0.021   0.029     0.996   92.857   92.381
LGA    S    22_E      S    22_E     1.004     0    0.017   0.261     1.324   83.690   82.937
LGA    A    23_E      A    23_E     0.836     0    0.085   0.082     0.992   90.476   90.476
LGA    K    24_E      K    24_E     0.800     0    0.021   0.437     1.465   90.476   89.471
LGA    E    25_E      E    25_E     0.727     0    0.031   0.587     2.919   92.857   86.825
LGA    L    26_E      L    26_E     0.570     0    0.031   1.361     2.821   95.238   82.321
LGA    Q    27_E      Q    27_E     0.318     0    0.015   0.121     0.446  100.000  100.000
LGA    L    28_E      L    28_E     0.581     0    0.042   1.362     3.622   97.619   83.750
LGA    E    29_E      E    29_E     0.464     0    0.076   0.881     4.209   97.619   79.841
LGA    L    30_E      L    30_E     0.118     0    0.045   0.181     0.736  100.000   98.810
LGA    I    31_E      I    31_E     0.250     0    0.015   0.109     0.470  100.000  100.000
LGA    K    32_E      K    32_E     0.259     0    0.040   0.802     2.458  100.000   93.069
LGA    Q    33_E      Q    33_E     0.336     0    0.040   0.815     3.144  100.000   85.767
LGA    F    34_E      F    34_E     0.284     0    0.025   0.037     0.763  100.000   94.805
LGA    M    35_E      M    35_E     0.466     0    0.046   0.138     1.082  100.000   94.107
LGA    A    36_E      A    36_E     0.429     0    0.017   0.016     0.461  100.000  100.000
LGA    E    37_E      E    37_E     0.359     0    0.023   0.407     1.837  100.000   93.810
LGA    A    38_E      A    38_E     0.296     0    0.079   0.094     0.326  100.000  100.000
LGA    M    39_E      M    39_E     0.439     0    0.024   1.093     4.466  100.000   86.786
LGA    K    40_E      K    40_E     0.164     0    0.013   0.729     3.721  100.000   83.386
LGA    I    41_E      I    41_E     0.198     0    0.038   0.053     0.425  100.000  100.000
LGA    G    42_E      G    42_E     0.283     0    0.152   0.152     1.056   95.357   95.357
LGA    N    43_E      N    43_E     0.181     0    0.047   0.349     1.044  100.000   96.488
LGA    K    44_E      K    44_E     0.150     0    0.034   0.918     4.382  100.000   78.201
LGA    E    45_E      E    45_E     0.160     0    0.011   0.877     2.780  100.000   86.190
LGA    G    46_E      G    46_E     0.112     0    0.039   0.039     0.243  100.000  100.000
LGA    L    47_E      L    47_E     0.310     0    0.024   0.112     0.698  100.000   97.619
LGA    L    48_E      L    48_E     0.296     0    0.064   0.115     0.889  100.000   96.429
LGA    L    49_E      L    49_E     0.305     0    0.014   1.373     3.534  100.000   82.262
LGA    L    50_E      L    50_E     0.532     0    0.027   0.060     0.958   95.238   92.857
LGA    A    51_E      A    51_E     0.502     0    0.017   0.021     0.502   97.619   98.095
LGA    E    52_E      E    52_E     0.210     0    0.022   1.151     4.092  100.000   80.212
LGA    R    53_E      R    53_E     0.184     0    0.060   0.789     3.010  100.000   82.684
LGA    L    54_E      L    54_E     0.273     0    0.061   0.119     0.424  100.000  100.000
LGA    E    55_E      E    55_E     0.326     0    0.034   0.574     1.483  100.000   93.757
LGA    A    56_E      A    56_E     0.169     0    0.022   0.030     0.237  100.000  100.000
LGA    L    57_E      L    57_E     0.467     0    0.039   0.129     0.741   95.238   92.857
LGA    K    58_E      K    58_E     0.776     0    0.029   0.827     2.948   90.476   81.058
LGA    P    59_E      P    59_E     0.798     0    0.081   0.130     1.220   88.214   89.184
LGA    K    60_E      K    60_E     0.797     0    0.036   0.869     5.075   90.476   74.444
LGA    V    61_E      V    61_E     0.842     0    0.025   0.095     0.974   90.476   90.476
LGA    S    62_E      S    62_E     1.078     0    0.032   0.550     1.366   88.214   85.952
LGA    P    63_E      P    63_E     0.948     0    0.104   0.376     1.820   85.952   82.789
LGA    E    64_E      E    64_E     1.257     0    0.175   0.777     4.092   79.524   63.704
LGA    I    65_E      I    65_E     1.653     0    0.219   1.533     4.130   79.286   71.667
LGA    A    66_E      A    66_E     1.030     0    0.055   0.066     1.361   85.952   86.857
LGA    V    67_E      V    67_E     0.760     0    0.024   0.065     1.229   90.476   86.599
LGA    L    68_E      L    68_E     0.918     0    0.012   1.396     3.930   90.476   77.024
LGA    V    69_E      V    69_E     0.646     0    0.026   0.092     0.878   95.238   93.197
LGA    E    70_E      E    70_E     0.217     0    0.086   0.290     1.020   97.619   94.762
LGA    K    71_E      K    71_E     0.557     0    0.061   1.049     6.167   97.619   75.026
LGA    A    72_E      A    72_E     0.316     0    0.043   0.062     0.357  100.000  100.000
LGA    A    73_E      A    73_E     0.149     0    0.021   0.020     0.306  100.000  100.000
LGA    E    74_E      E    74_E     0.244     0    0.107   0.384     1.262  100.000   94.762
LGA    M    75_E      M    75_E     0.225     0    0.016   1.068     3.415  100.000   85.000
LGA    L    76_E      L    76_E     0.156     0    0.021   0.204     0.669  100.000   97.619
LGA    K    77_E      K    77_E     0.318     0    0.022   0.491     1.324  100.000   94.815
LGA    L    78_E      L    78_E     0.272     0    0.101   0.240     0.867  100.000   96.429
LGA    L    79_E      L    79_E     0.204     0    0.025   0.248     0.607  100.000   98.810
LGA    A    80_E      A    80_E     0.531     0    0.039   0.036     0.864   92.857   92.381
LGA    K    81_E      K    81_E     0.326     0    0.021   1.123     6.883  100.000   74.180
LGA    A    82_E      A    82_E     0.487     0    0.073   0.070     0.783   95.238   94.286
LGA    L    83_E      L    83_E     1.404     0    0.610   0.563     1.952   79.405   82.679

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       83     332    332  100.00     623    623  100.00                83
SUMMARY(RMSD_GDC):     0.808          0.760                  1.505           94.981   89.562

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   83   83    4.0     83    0.81    97.892    99.033     9.145

LGA_LOCAL      RMSD:   0.808  Number of atoms:   83  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.808  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   0.808  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.354632 * X  +   0.414061 * Y  +   0.838325 * Z  + -29.629219
  Y_new =   0.882382 * X  +   0.148342 * Y  +  -0.446538 * Z  + -42.205528
  Z_new =  -0.309253 * X  +   0.898080 * Y  +  -0.312754 * Z  + -62.359127 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.188650  0.314407  1.905909   [DEG:   68.1046   18.0142  109.2005 ]
ZXZ:  1.081367  1.888887 -0.331631   [DEG:   61.9578  108.2253  -19.0011 ]
 
# END of job
